MONTE-CARLO SIMULATIONS FOR THE BEHAVIOR OF MULTIBLOCK COPOLYMERS AT A PENETRABLE INTERFACE
MONTE-CARLO SIMULATIONS FOR THE BEHAVIOR OF MULTIBLOCK COPOLYMERS AT A PENETRABLE INTERFACE
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DOI：
10.1063/1.460715
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发表时间：
1991-01-15
影响因子：
4.4
通讯作者：
LANTMAN, CW
中科院分区：
文献类型：
--
作者：
BALAZS, AC;SIEMASKO, CP;LANTMAN, CW
我们使用蒙特卡罗模拟来检查单个多嵌段 AB 共聚物在两种不混溶流体 A 和 B 之间的可渗透界面附近的行为。我们确定了 CHI-AB 的值，即共聚单体和流体之间的相互作用能，这对于将链定位在流体-流体边界处并研究该值对嵌段长度的依赖性是必需的。 一旦定位在界面上，我们就可以计算多嵌段共聚物的构象如何从其随机卷曲尺寸受到扰动。 然后，我们比较了一系列 CHI-AB 值和不同块长度的多块链的界面行为。 此外，我们将这些结果与此类界面处的各种二嵌段的性质进行比较。 最后，我们检查了多个多块在流体-流体表面的行为。 模拟结果有助于对比二嵌段和多嵌段共聚物的增容活性。
We use Monte Carlo simulations to examine the behavior of a single multiblock AB copolymer near the penetrable interface between two immiscible fluids, A and B. We determine the values of CHI-AB, the interaction energy between comonomer and fluid, that are necessary to localize the chain at the fluid-fluid boundary and investigate the dependence of this value on the block length. Once localized at the interface, we calculate how the conformation of the multiblock copolymer is perturbed from its random coil dimensions. We then compare the interfacial behavior of the multiblock chain for a range of CHI-AB values and for different block lengths. Furthermore, we compare these results with the properties of various diblocks at such an interface. Finally, we examine the behavior of several multiblocks at the fluid-fluid surface. The findings of the simulations are helpful in contrasting the compatibilizing activity of diblock and multiblock copolymers.